2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane

C11H13FO2 — CID 20671519

IUPAC2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane
SMILESCC1COC(Cc2ccc(F)cc2)O1
InChIInChI=1S/C11H13FO2/c1-8-7-13-11(14-8)6-9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3
InChIKeyZCPSFORQCASINZ-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.13
Rot. Bonds2

About 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane

2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane (PubChem CID 20671519) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane
PubChem CID20671519
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Name2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane
SMILESCC1COC(Cc2ccc(F)cc2)O1
InChIInChI=1S/C11H13FO2/c1-8-7-13-11(14-8)6-9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3
InChIKeyZCPSFORQCASINZ-UHFFFAOYSA-N
XLogP2.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenyl acetaldehyde dimethyl acetal
CID 60995
Phenylacetaldehyde 2,3-butylene glycol acetal
CID 230525
Acetaldehyde phenethyl propyl acetal
CID 61403
Phenyl acetaldehyde diisobutyl acetal
CID 71544
Benzaldehyde propylene glycol acetal
CID 595928
Phenylacetaldehyde diethyl acetal
CID 80584
2-(Phenylmethyl)-1,3-dioxolane-4-methanol
CID 21895
Acetaldehyde butyl phenethyl acetal
CID 62876
Benzene, (2-(1-ethoxyethoxy)ethyl)-
CID 102849
2-Phenylpropanal propylene glycol acetal
CID 236687
2-Benzyl-1,3-dioxolane
CID 7562
1,3-Dioxane, 4,4,6-trimethyl-2-(phenylmethyl)-
CID 95266

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane (CID 20671519) is 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane is CC1COC(Cc2ccc(F)cc2)O1.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane?
The InChIKey is ZCPSFORQCASINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-8-7-13-11(14-8)6-9-2-4-10(12)5-3-9/h2-5,8,11H,6-7H2,1H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane?
2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane has a molecular weight of 196.22 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 20671519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).